Found 4 hits for monomerid = 50532714 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
ATP-binding cassette sub-family G member 2
(Homo sapiens (Human)) | BDBM50532714
(CHEMBL4458009)Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4[S+]([O-])c4ccccc4)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O6S/c1-39-31-20-27-16-17-37(23-28(27)21-32(31)40-2)22-24-8-10-25(11-9-24)26-12-14-29(15-13-26)41-18-19-42-33-34(36-43-35-33)44(38)30-6-4-3-5-7-30/h3-15,20-21H,16-19,22-23H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino Via P. Giuria 9
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) |
J Med Chem 59: 6729-38 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00252 |
More data for this
Ligand-Target Pair | |
ATP-binding cassette sub-family G member 2
(Homo sapiens (Human)) | BDBM50532714
(CHEMBL4458009)Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4[S+]([O-])c4ccccc4)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O6S/c1-39-31-20-27-16-17-37(23-28(27)21-32(31)40-2)22-24-8-10-25(11-9-24)26-12-14-29(15-13-26)41-18-19-42-33-34(36-43-35-33)44(38)30-6-4-3-5-7-30/h3-15,20-21H,16-19,22-23H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino Via P. Giuria 9
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) |
J Med Chem 59: 6729-38 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00252 |
More data for this
Ligand-Target Pair | |
Multidrug resistance protein 1/Multidrug resistance associated protein 1
(Homo sapiens (Human)) | BDBM50532714
(CHEMBL4458009)Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4[S+]([O-])c4ccccc4)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O6S/c1-39-31-20-27-16-17-37(23-28(27)21-32(31)40-2)22-24-8-10-25(11-9-24)26-12-14-29(15-13-26)41-18-19-42-33-34(36-43-35-33)44(38)30-6-4-3-5-7-30/h3-15,20-21H,16-19,22-23H2,1-2H3 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino Via P. Giuria 9
Curated by ChEMBL
| Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as decrease in calcein-AM transport after 30 mins by fluorescence assay |
J Med Chem 59: 6729-38 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00252 |
More data for this
Ligand-Target Pair | |
Multidrug resistance protein 1/Multidrug resistance associated protein 1
(Homo sapiens (Human)) | BDBM50532714
(CHEMBL4458009)Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4[S+]([O-])c4ccccc4)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O6S/c1-39-31-20-27-16-17-37(23-28(27)21-32(31)40-2)22-24-8-10-25(11-9-24)26-12-14-29(15-13-26)41-18-19-42-33-34(36-43-35-33)44(38)30-6-4-3-5-7-30/h3-15,20-21H,16-19,22-23H2,1-2H3 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino Via P. Giuria 9
Curated by ChEMBL
| Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as decrease in calcein-AM transport after 30 mins by fluorescence assay |
J Med Chem 59: 6729-38 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00252 |
More data for this
Ligand-Target Pair | |
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